8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one

C21H18O2 — CID 24807051

IUPAC8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESCCc1ccc2c3c(ccc2c1)OC(=O)CC3c1ccccc1
InChIInChI=1S/C21H18O2/c1-2-14-8-10-17-16(12-14)9-11-19-21(17)18(13-20(22)23-19)15-6-4-3-5-7-15/h3-12,18H,2,13H2,1H3
InChIKeyHVDKRRUAHWTDDN-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.84
Rot. Bonds2

About 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one

8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 24807051) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID24807051
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESCCc1ccc2c3c(ccc2c1)OC(=O)CC3c1ccccc1
InChIInChI=1S/C21H18O2/c1-2-14-8-10-17-16(12-14)9-11-19-21(17)18(13-20(22)23-19)15-6-4-3-5-7-15/h3-12,18H,2,13H2,1H3
InChIKeyHVDKRRUAHWTDDN-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

8-iodo-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
CID 24805831
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide
CID 24805828
(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
CID 99991049
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
CID 132851249
(10S)-10-(4-octoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124873437
(10R)-10-(3-hydroxy-4-methoxyphenyl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124874022
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268
3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
CID 3717788

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one (CID 24807051) is 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one is CCc1ccc2c3c(ccc2c1)OC(=O)CC3c1ccccc1.
What is the InChIKey of 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is HVDKRRUAHWTDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-2-14-8-10-17-16(12-14)9-11-19-21(17)18(13-20(22)23-19)15-6-4-3-5-7-15/h3-12,18H,2,13H2,1H3.
What are the key properties of 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 302.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 24807051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).